5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C21H21ClN6 — CID 56575856

IUPAC5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(N3CCN(Cc4ccc(Cl)cc4)CC3)n2n1
InChIInChI=1S/C21H21ClN6/c1-15-23-20-18-4-2-3-5-19(18)24-21(28(20)25-15)27-12-10-26(11-13-27)14-16-6-8-17(22)9-7-16/h2-9H,10-14H2,1H3
InChIKeySCVLEXARLZXHKI-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.56
Rot. Bonds3

About 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 56575856) has the molecular formula C21H21ClN6 and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID56575856
Molecular FormulaC21H21ClN6
Molecular Weight392.89 g/mol
Exact Mass392.15
IUPAC Name5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(N3CCN(Cc4ccc(Cl)cc4)CC3)n2n1
InChIInChI=1S/C21H21ClN6/c1-15-23-20-18-4-2-3-5-19(18)24-21(28(20)25-15)27-12-10-26(11-13-27)14-16-6-8-17(22)9-7-16/h2-9H,10-14H2,1H3
InChIKeySCVLEXARLZXHKI-UHFFFAOYSA-N
XLogP3.56
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol
CID 56788030
(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56575191
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56574362
5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 27791941
3-(4-chlorophenyl)-5-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865083
1-[3-fluoro-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]phenyl]ethanone
CID 56553992
(3-fluoro-4-methylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56574130
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
CID 56575476
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
CID 22468029
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 56575856) is 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(N3CCN(Cc4ccc(Cl)cc4)CC3)n2n1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is SCVLEXARLZXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6/c1-15-23-20-18-4-2-3-5-19(18)24-21(28(20)25-15)27-12-10-26(11-13-27)14-16-6-8-17(22)9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 392.89 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 56575856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).